4-N-(3-bromophenyl)-7-N-[2-(dimethylamino)ethyl]pyrido[4,3-d]pyrimidine-4,7-diamine

C17H19BrN6 — CID 5328306

IUPAC4-N-(3-bromophenyl)-7-N-[2-(dimethylamino)ethyl]pyrido[4,3-d]pyrimidine-4,7-diamine
SMILESCN(C)CCNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1
InChIInChI=1S/C17H19BrN6/c1-24(2)7-6-19-16-9-15-14(10-20-16)17(22-11-21-15)23-13-5-3-4-12(18)8-13/h3-5,8-11H,6-7H2,1-2H3,(H,19,20)(H,21,22,23)
InChIKeyYOKVZXZOOHPMFL-UHFFFAOYSA-N
MW387.29 g/mol
LogP3.50
Rot. Bonds6

About 4-N-(3-bromophenyl)-7-N-[2-(dimethylamino)ethyl]pyrido[4,3-d]pyrimidine-4,7-diamine

4-N-(3-bromophenyl)-7-N-[2-(dimethylamino)ethyl]pyrido[4,3-d]pyrimidine-4,7-diamine (PubChem CID 5328306) has the molecular formula C17H19BrN6 and a molecular weight of 387.29 g/mol. Its IUPAC name is 4-N-(3-bromophenyl)-7-N-[2-(dimethylamino)ethyl]pyrido[4,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name4-N-(3-bromophenyl)-7-N-[2-(dimethylamino)ethyl]pyrido[4,3-d]pyrimidine-4,7-diamine
PubChem CID5328306
Molecular FormulaC17H19BrN6
Molecular Weight387.29 g/mol
Exact Mass386.09
IUPAC Name4-N-(3-bromophenyl)-7-N-[2-(dimethylamino)ethyl]pyrido[4,3-d]pyrimidine-4,7-diamine
SMILESCN(C)CCNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1
InChIInChI=1S/C17H19BrN6/c1-24(2)7-6-19-16-9-15-14(10-20-16)17(22-11-21-15)23-13-5-3-4-12(18)8-13/h3-5,8-11H,6-7H2,1-2H3,(H,19,20)(H,21,22,23)
InChIKeyYOKVZXZOOHPMFL-UHFFFAOYSA-N
XLogP3.50
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.29
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromophenyl)-7-N-[2-(dimethylamino)ethyl]pyrido[4,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 4-N-(3-bromophenyl)-7-N-[2-(dimethylamino)ethyl]pyrido[4,3-d]pyrimidine-4,7-diamine (CID 5328306) is 4-N-(3-bromophenyl)-7-N-[2-(dimethylamino)ethyl]pyrido[4,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 4-N-(3-bromophenyl)-7-N-[2-(dimethylamino)ethyl]pyrido[4,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 4-N-(3-bromophenyl)-7-N-[2-(dimethylamino)ethyl]pyrido[4,3-d]pyrimidine-4,7-diamine is CN(C)CCNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1.
What is the InChIKey of 4-N-(3-bromophenyl)-7-N-[2-(dimethylamino)ethyl]pyrido[4,3-d]pyrimidine-4,7-diamine?
The InChIKey is YOKVZXZOOHPMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN6/c1-24(2)7-6-19-16-9-15-14(10-20-16)17(22-11-21-15)23-13-5-3-4-12(18)8-13/h3-5,8-11H,6-7H2,1-2H3,(H,19,20)(H,21,22,23).
What are the key properties of 4-N-(3-bromophenyl)-7-N-[2-(dimethylamino)ethyl]pyrido[4,3-d]pyrimidine-4,7-diamine?
4-N-(3-bromophenyl)-7-N-[2-(dimethylamino)ethyl]pyrido[4,3-d]pyrimidine-4,7-diamine has a molecular weight of 387.29 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromophenyl)-7-N-[2-(dimethylamino)ethyl]pyrido[4,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 5328306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).